Product Name

  • Name

    4-methyl hydrogen D-aspartate hydrochloride

  • EINECS 245-179-8
  • CAS No. 22728-89-8
  • Article Data8
  • CAS DataBase
  • Density
  • Solubility
  • Melting Point
  • Formula C5H9NO4·ClH
  • Boiling Point 329 °C at 760 mmHg
  • Molecular Weight 183.592
  • Flash Point 152.8 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 22728-89-8 (4-methyl hydrogen D-aspartate hydrochloride)
  • Hazard Symbols
  • Synonyms Asparticacid, 4-methyl ester, hydrochloride, D- (7CI,8CI);D-Aspartic acid, 4-methyl ester, hydrochloride (9CI);
  • PSA 100.62000
  • LogP 0.88840

4-Methyl hydrogen D-aspartate hydrochloride Specification

The 4-Methyl hydrogen D-aspartate hydrochloride, with the CAS registry number 22728-89-8, is also known as D-Aspartic acid, 4-methyl ester, hydrochloride (9CI). Its EINECS number is 245-179-8. This chemical's molecular formula is C5H9NO4·ClH and molecular weight is 184.60. What's more, its systematic name is (2R)-2-Amino-4-methoxy-4-oxobutanoic acid hydrochloride.

Physical properties of 4-Methyl hydrogen D-aspartate hydrochloride are: (1)#H bond acceptors: 5; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 89.62 Å2; (5)Flash Point: 152.8 °C; (6)Enthalpy of Vaporization: 62.82 kJ/mol; (7)Boiling Point: 329 °C at 760 mmHg; (8)Vapour Pressure: 3.6E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(OC)C[C@@H](N)C(O)=O
(2)Std. InChI: InChI=1S/C5H9NO4.ClH/c1-10-4(7)2-3(6)5(8)9;/h3H,2,6H2,1H3,(H,8,9);1H/t3-;/m1./s1
(3)Std. InChIKey: QRBMPUYOGOCYDJ-AENDTGMFSA-N

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